6KVF
 
 | | Structure of anti-hCXCR2 abN48 in complex with its CXCR2 epitope | | Descriptor: | Peptide from C-X-C chemokine receptor type 2, heavy chain, light chain | | Authors: | Xiang, J.C, Yan, L, Yang, B, Wilson, I.A. | | Deposit date: | 2019-09-04 | | Release date: | 2020-09-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Selection of a picomolar antibody that targets CXCR2-mediated neutrophil activation and alleviates EAE symptoms.
Nat Commun, 12, 2021
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6LHZ
 | | Structure of aerolysin-like protein (Bombina maxima) | | Descriptor: | aerolysin-like protein | | Authors: | Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y. | | Deposit date: | 2019-12-10 | | Release date: | 2020-06-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | A cellular endolysosome-modulating pore-forming protein from a toad is negatively regulated by its paralog under oxidizing conditions.
J.Biol.Chem., 295, 2020
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8UN5
 | | KRAS-G13D-GDP in complex with Cpd38 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one) | | Descriptor: | (2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one, GLYCEROL, GTPase KRas, ... | | Authors: | Ultsch, M.H. | | Deposit date: | 2023-10-18 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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8UN3
 | | KRAS-G13D-GDP in complex with Cpd5 (1-((S)-10-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-11-chloro-7-(((2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl)methoxy)-3,4,13,13a-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2(1H)-yl)prop-2-en-1-one) | | Descriptor: | 1,2-ETHANEDIOL, 1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one, CHLORIDE ION, ... | | Authors: | Ultsch, M.H. | | Deposit date: | 2023-10-18 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024
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5H19
 | | EED in complex with PRC2 allosteric inhibitor EED162 | | Descriptor: | 5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | | Deposit date: | 2016-10-08 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Molecular Basis of a Diverse Set of Polycomb Repressive Complex 2 Inhibitors Recognition by EED
PLoS ONE, 12, 2017
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1NJB
 | | THYMIDYLATE SYNTHASE | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1996-01-23 | | Release date: | 1996-10-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Partitioning roles of side chains in affinity, orientation, and catalysis with structures for mutant complexes: asparagine-229 in thymidylate synthase.
Biochemistry, 35, 1996
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1NJA
 | | THYMIDYLATE SYNTHASE, MUTATION, N229C WITH 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (DCMP) | | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1996-01-23 | | Release date: | 1996-07-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Partitioning roles of side chains in affinity, orientation, and catalysis with structures for mutant complexes: asparagine-229 in thymidylate synthase.
Biochemistry, 35, 1996
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1NJC
 | | THYMIDYLATE SYNTHASE, MUTATION, N229D WITH 2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (DCMP) | | Descriptor: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1996-01-23 | | Release date: | 1996-07-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Partitioning roles of side chains in affinity, orientation, and catalysis with structures for mutant complexes: asparagine-229 in thymidylate synthase.
Biochemistry, 35, 1996
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1NJD
 | | THYMIDYLATE SYNTHASE, MUTATION, N229D WITH 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP) | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | | Authors: | Finer-Moore, J, Stroud, R.M. | | Deposit date: | 1996-01-23 | | Release date: | 1996-07-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Partitioning roles of side chains in affinity, orientation, and catalysis with structures for mutant complexes: asparagine-229 in thymidylate synthase.
Biochemistry, 35, 1996
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1NJE
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4DDP
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6XF5
 | | Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (RBDs down) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L. | | Deposit date: | 2020-06-15 | | Release date: | 2020-09-02 | | Last modified: | 2020-12-02 | | Method: | ELECTRON MICROSCOPY (3.45 Å) | | Cite: | Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
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1TVU
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6XF6
 | | Cryo-EM structure of a biotinylated SARS-CoV-2 spike probe in the prefusion state (1 RBD up) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L. | | Deposit date: | 2020-06-15 | | Release date: | 2020-09-02 | | Last modified: | 2020-12-02 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structure-Based Design with Tag-Based Purification and In-Process Biotinylation Enable Streamlined Development of SARS-CoV-2 Spike Molecular Probes.
SSRN, 2020
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1TVW
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1TVV
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6T5B
 | | KRasG12C ligand complex | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Phillips, C. | | Deposit date: | 2019-10-15 | | Release date: | 2020-02-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
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6T5U
 | | KRasG12C ligand complex | | Descriptor: | 1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Phillips, C. | | Deposit date: | 2019-10-17 | | Release date: | 2020-02-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
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6T5V
 | | KRasG12C ligand complex | | Descriptor: | 1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Phillips, C. | | Deposit date: | 2019-10-17 | | Release date: | 2020-02-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structure-Based Design and Pharmacokinetic Optimization of Covalent Allosteric Inhibitors of the Mutant GTPase KRASG12C.
J.Med.Chem., 63, 2020
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7N5H
 | | Cryo-EM structure of broadly neutralizing antibody 2-36 in complex with prefusion SARS-CoV-2 spike glycoprotein | | Descriptor: | 2-36 Fab heavy chain, 2-36 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Casner, R.G, Cerutti, G, Shapiro, L. | | Deposit date: | 2021-06-05 | | Release date: | 2021-11-03 | | Last modified: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | A monoclonal antibody that neutralizes SARS-CoV-2 variants, SARS-CoV, and other sarbecoviruses.
Emerg Microbes Infect, 11, 2022
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4NOK
 | | Crystal structure of proenzyme asparaginyl endopeptidase (AEP)/Legumain at pH 7.5 | | Descriptor: | Legumain | | Authors: | Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J. | | Deposit date: | 2013-11-19 | | Release date: | 2014-02-19 | | Last modified: | 2014-03-19 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
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6L0O
 | | WH domain of human MCM8 | | Descriptor: | DNA helicase MCM8, SULFATE ION | | Authors: | Liu, Y, Li, J, Liu, L, Zeng, H. | | Deposit date: | 2019-09-26 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Crystal structure of the winged-helix domain of MCM8.
Biochem.Biophys.Res.Commun., 526, 2020
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6L08
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6J6M
 | | Co-crystal structure of BTK kinase domain with Zanubrutinib | | Descriptor: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK | | Authors: | Zhou, X, Hong, Y. | | Deposit date: | 2019-01-15 | | Release date: | 2019-10-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
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4NOM
 | | Crystal structure of asparaginyl endopeptidase (AEP)/Legumain activated at pH 4.5 | | Descriptor: | Legumain | | Authors: | Zhao, L, Hua, T, Ru, H, Ni, X, Shaw, N, Jiao, L, Ding, W, Qu, L, Ouyang, S, Liu, Z.J. | | Deposit date: | 2013-11-19 | | Release date: | 2014-02-19 | | Last modified: | 2014-03-19 | | Method: | X-RAY DIFFRACTION (2.006 Å) | | Cite: | Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage.
Cell Res., 24, 2014
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